1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol

C11H11F3O — CID 91655471

IUPAC1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
SMILESCC(O)(c1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C11H11F3O/c1-11(15,6-2-3-6)7-4-8(12)10(14)9(13)5-7/h4-6,15H,2-3H2,1H3
InChIKeyHZOCMZXKTMSDRO-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.72
Rot. Bonds2

About 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol

1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol (PubChem CID 91655471) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
PubChem CID91655471
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
SMILESCC(O)(c1cc(F)c(F)c(F)c1)C1CC1
InChIInChI=1S/C11H11F3O/c1-11(15,6-2-3-6)7-4-8(12)10(14)9(13)5-7/h4-6,15H,2-3H2,1H3
InChIKeyHZOCMZXKTMSDRO-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol (CID 91655471) is 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol is CC(O)(c1cc(F)c(F)c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is HZOCMZXKTMSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-11(15,6-2-3-6)7-4-8(12)10(14)9(13)5-7/h4-6,15H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol?
1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 216.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 91655471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).